Phonon Fit for LESCO 0.125

Generated on: 2025-07-21 11:15:17

Model Description (LaTeX)

Model description

The model is a sum of three Gaussian peaks (elastic, breathing, bond-buckling), a DHO, and a linear function:

Individual Components

1. Elastic Peak (First Gaussian)

where $\sigma_1 = \frac{\text{FWHM}_1}{2\sqrt{2\ln(2)}}$

2. Breathing Mode (Second Gaussian)

where $\sigma_2 = \frac{\text{FWHM}_2}{2\sqrt{2\ln(2)}}$

3. Magnon Peak (DHO)

where $\gamma = \frac{\text{FWHM}_3}{2}$

4. Bond-buckling Mode (Fourth Gaussian)

where $\sigma_4 = \frac{\text{FWHM}_4}{2\sqrt{2\ln(2)}}$

5. Linear Background

Parameters and Bounds

Parameter Value
x0_1 (elastic center) [-0.100, 0.100] eV
A_1 (elastic amplitude) [0, 10]
x0_2 (breathing center) [0.050, 0.200] eV
A_2 (breathing amplitude) [0, 10]
x0_3 (magnon center) [0.040, 0.550] eV
A_3 (magnon amplitude) [0, inf]
res_3 (magnon FWHM) [0.044, 10.000] eV
x0_4 (bond-buckling center) [0.015, 0.060] eV
A_4 (bond-buckling amplitude) [0.00, 1.00]
slope (background) [0, 1]

Figures for T = 15 K

Figures

The fit results

The fit results

The phonon dispersion

The phonon dispersion

Phonon intensities

Phonon intensities

Figures for T = 100 K

Figures

The fit results

The fit results

The phonon dispersion

The phonon dispersion

Phonon intensities

Phonon intensities

Figures for T = 150 K

Figures

The fit results

The fit results

The phonon dispersion

The phonon dispersion

Phonon intensities

Phonon intensities

Figures for T = 200 K

Figures

The fit results

The fit results

The phonon dispersion

The phonon dispersion

Phonon intensities

Phonon intensities

Temperature Dependence Comparison

This section compares the temperature dependence of the elastic intensity, breathing intensity, breathing dispersion, bond-buckling intensity, and bond-buckling dispersion for LESCO 0.125.

  • Colors: 15K (blue), 100K (cyan), 150K (gold), 200K (red)
  • Circles: Breathing mode; Squares: Bond-buckling mode; Triangles: Elastic (divided by 1.5)

Figures